N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine

C16H23NO — CID 78966709

IUPACN-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
SMILESCC(CNCc1cc2ccccc2o1)C(C)(C)C
InChIInChI=1S/C16H23NO/c1-12(16(2,3)4)10-17-11-14-9-13-7-5-6-8-15(13)18-14/h5-9,12,17H,10-11H2,1-4H3
InChIKeyBWUGNSQHQOWMBK-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.20
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine

N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine (PubChem CID 78966709) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
PubChem CID78966709
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
SMILESCC(CNCc1cc2ccccc2o1)C(C)(C)C
InChIInChI=1S/C16H23NO/c1-12(16(2,3)4)10-17-11-14-9-13-7-5-6-8-15(13)18-14/h5-9,12,17H,10-11H2,1-4H3
InChIKeyBWUGNSQHQOWMBK-UHFFFAOYSA-N
XLogP4.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981918
N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine
CID 115592636
1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol
CID 66178945
3-(1-benzofuran-2-ylmethylamino)-2-methylpropane-1,2-diol
CID 66168795
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 28609841
(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 114733525
N-(1-benzofuran-2-ylmethyl)furan-2-amine
CID 69320598
1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine
CID 114733291
N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine
CID 43180579
N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 28618146

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine (CID 78966709) is N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine is CC(CNCc1cc2ccccc2o1)C(C)(C)C.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine?
The InChIKey is BWUGNSQHQOWMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(16(2,3)4)10-17-11-14-9-13-7-5-6-8-15(13)18-14/h5-9,12,17H,10-11H2,1-4H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine?
N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 78966709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).